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Constraining density functional approximations to yield self-interaction free potentials
Constraining density functional approximations self-interaction free potentials
2011/8/18
Abstract: Self-interactions (SIs) are a major problem in density functional approximations and the source of serious divergence from experimental results. Here, we propose to constrain the effective l...
The Stability of Icosahedral Cluster and the Range of Interaction
Potential
cluster icosahedron fullerence
2007/8/15
2001Vol.36No.4pp.459-462DOI:
The Stability of Icosahedral Cluster and the Range of Interaction
Potential
DING Feng,1,2 WANG Jin-Lan,1,3 SHEN Wei-Feng,1 WANG Bao-Lin,1 LI Hui1 and...
Spectrophotometric Study of the Interaction Between Aza-15-Crown-5 and Some p-Acceptors in Chloroform Solution
Spectrophotometry Azacrown ethers TCNQ DDQ Bromanil TCNE
2010/4/19
A spectrophotometric study concerning the interaction between A15C5 as n-donor and TCNE, DDQ, TCNQ and bromanil as p -acceptor was been performed in chloroform at 25 °C. The results of TCNE indicate t...